E 2078

C50H81N15O9CAS 103613-84-91036.29 g/mol

Open in Covalent MOL file
NHOHNONNH2H2NNONNH2H2NHNOHNOHNONHOHNOOHNH
AmideGuanidinePhenolSecondary amine

Properties

Molecular formula
C50H81N15O9
Molar mass
1036.29 g/mol
Exact mass
1035.6342 Da
logP
-1.90Crippen estimate
Polar surface area
385.1 Ų
H-bond donors / acceptors
13 / 12
Rotatable bonds
33
Stereocentres
R, 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
103613-84-9
SMILES
CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)N(C)C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC
InChIKey
JENWDDCMEATQSR-ONSKYXJOSA-N
InChI
InChI=1S/C50H81N15O9/c1-8-56-44(70)37(24-30(2)3)64-47(73)40(17-13-23-58-50(53)54)65(7)48(74)35(16-12-22-57-49(51)52)62-45(71)38(25-31(4)5)63-46(72)39(27-32-14-10-9-11-15-32)61-42(68)29-59-41(67)28-60-43(69)36(55-6)26-33-18-20-34(66)21-19-33/h9-11,14-15,18-21,30-31,35-40,55,66H,8,12-13,16-17,22-29H2,1-7H3,(H,56,70)(H,59,67)(H,60,69)(H,61,68)(H,62,71)(H,63,72)(H,64,73)(H4,51,52,57)(H4,53,54,58)/t35-,36-,37+,38-,39-,40-/m0/s1

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