H-Asp-ala-glu-phe-arg-his-asp-ser-gly-tyr-glu-val-his-his-gln-lys-leu-val-phe-phe-ala-glu-asp-val-gly-ser-asn-lys-oh

C145H209N41O46CAS 109770-29-83262.51 g/mol

Open in Covalent MOL file
OHNOOHONHOHOOHNONHONHHOONHOH2NONHNH2OOHNHONHONHOHNOHNONH2HNOONH2HNOHNNNHOHNNNHONHOOHONHOHOHNONHOOHHNOOOHNHONHNHNOHNNHNH2HNONHOOHONHOHNOOOHNH2
AlcoholAmideCarboxylic acidGuanidinePhenolPrimary amine

Properties

Molecular formula
C145H209N41O46
Molar mass
3262.51 g/mol
Exact mass
3260.5275 Da
logP
-13.96Crippen estimate
Polar surface area
1419.7 Ų
H-bond donors / acceptors
48 / 46
Rotatable bonds
108
Stereocentres
S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
109770-29-8
SMILES
C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC3=CNC=N3)NC(=O)[C@H](CC4=CNC=N4)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC6=CNC=N6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)N
InChIKey
CMKVKXQGLWBAFY-QPKHPQBTSA-N
InChI
InChI=1S/C145H209N41O46/c1-71(2)49-93(138(225)186-118(74(7)8)142(229)181-97(52-79-29-18-13-19-30-79)132(219)175-95(50-77-25-14-11-15-26-77)129(216)163-76(10)120(207)167-90(40-44-111(196)197)127(214)179-103(60-115(204)205)139(226)184-116(72(3)4)141(228)158-65-109(193)165-105(67-188)140(227)178-101(58-107(150)191)136(223)172-92(144(231)232)32-21-23-47-147)173-123(210)86(31-20-22-46-146)168-125(212)88(38-42-106(149)190)170-133(220)98(54-81-61-153-68-159-81)177-135(222)100(56-83-63-155-70-161-83)182-143(230)117(73(5)6)185-128(215)91(41-45-112(198)199)171-130(217)94(53-80-34-36-84(189)37-35-80)164-108(192)64-157-122(209)104(66-187)183-137(224)102(59-114(202)203)180-134(221)99(55-82-62-154-69-160-82)176-124(211)87(33-24-48-156-145(151)152)169-131(218)96(51-78-27-16-12-17-28-78)174-126(213)89(39-43-110(194)195)166-119(206)75(9)162-121(208)85(148)57-113(200)201/h11-19,25-30,34-37,61-63,68-76,85-105,116-118,187-189H,20-24,31-33,38-60,64-67,146-148H2,1-10H3,(H2,149,190)(H2,150,191)(H,153,159)(H,154,160)(H,155,161)(H,157,209)(H,158,228)(H,162,208)(H,163,216)(H,164,192)(H,165,193)(H,166,206)(H,167,207)(H,168,212)(H,169,218)(H,170,220)(H,171,217)(H,172,223)(H,173,210)(H,174,213)(H,175,219)(H,176,211)(H,177,222)(H,178,227)(H,179,214)(H,180,221)(H,181,229)(H,182,230)(H,183,224)(H,184,226)(H,185,215)(H,186,225)(H,194,195)(H,196,197)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H,231,232)(H4,151,152,156)/t75-,76-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,116-,117-,118-/m0/s1

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