(4S)-5-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-carbamoyl-2-carboxyethyl]carbamoyl}ethyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-carboxypropyl]amino}-4-acetamidohex-5-enoic acid

CAS: 868844-74-0

Formula: C42H72N16O15S

SMILES: CSCC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=C)[C@H](CCC(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(N)=O

IUPAC: (4S)-5-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-carbamoyl-2-carboxyethyl]carbamoyl}ethyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-carboxypropyl]amino}-4-acetamidohex-5-enoic acid

InChI: InChI=1S/C42H72N16O15S/c1-20(23(53-22(3)59)10-13-31(61)62)51-26(11-14-32(63)64)38(71)57-28(15-18-74-4)40(73)56-27(9-12-30(43)60)39(72)55-25(8-6-17-50-42(47)48)37(70)54-24(7-5-16-49-41(45)46)36(69)52-21(2)35(68)58-29(34(44)67)19-33(65)66/h21,23-29,51H,1,5-

Composition: C (47.01%), H (6.76%), N (20.88%), O (22.36%), S (2.99%)

Molar Mass: 1073.2

Atom Count: 146

Heavy Atom Count: 74