10-desarg-hoe 140

Structural Information

Molecular Formula

C₅₃H₇₇N₁₅O₁₂S

SMILES

C1CCC2=C(C1)C=CN=C2C(=O)C3[C@@]4([C@H](CCCC4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)N[C@@]3(C(=O)[C@H](CO)NC(=O)[C@H](CC6=CC=CS6)N)C(=O)O)C(=O)CNC(=O)[C@@H]7CC(CN7)O

InChI

InChI=1S/C53H77N15O12S/c54-32(12-4-17-61-50(56)57)45(75)65-34(13-5-18-62-51(58)59)48(78)68-20-6-14-37(68)41(72)31-11-3-15-38-52(31,39(71)25-64-47(77)35-22-28(70)24-63-35)43(42(73)40-30-10-2-1-8-27(30)16-19-60-40)53(67-38,49(79)80)44(74)36(26-69)66-46(76)33(55)23-29-9-7-21-81-29/h7,9,16,19,21,28,31-38,43,63,67,69-70H,1-6,8,10-15,17-18,20,22-26,54-55H2,(H,64,77)(H,65,75)(H,66,76)(H,79,80)(H4,56,57,61)(H4,58,59,62)/t28?,31?,32-,33+,34+,35+,36+,37+,38+,43?,52+,53+/m1/s1

InChIKey

NZVSWJBJOVGTMD-HBRAAJGISA-N

Compound name

(2S,3aS,7aS)-4-[(2S)-1-[(2S)-2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-2-[(2S)-2-[[(2S)-2-amino-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]-3a-[2-[[(2S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]-3-(5,6,7,8-tetrahydroisoquinoline-1-carbonyl)-3,4,5,6,7,7a-hexahydro-1H-indole-2-carboxylic acid

Related CIDs

• CID 3036089