4-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-carboxy-4-(diaminomethylideneamino)butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-(diaminomethylideneamino)butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-(3H-imidazol-4-yl)ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-hydroxy-ethyl]carbamoyl]-4-(2,6-diaminohexanoylamino)butanoic acid

Molecular Formula: C65H117N21O17


InChI: InChI=1/C65H117N21O17/c1-32(2)24-43(56(95)78-42(63(102)103)18-15-23-74-65(70)71)79-53(92)40(17-14-22-73-64(68)69)77-55(94)44(25-33(3)4)82-61(100)50(36(9)10)85-59(98)46(27-35(7)8)80-58(97)47(28-38-29-72-31-75-38)81-57(96)45(26-34(5)6)83-62(101)51(37(11)88)86-60(99)48(30-87)84-54(93)41(19-20-49(89)90)76-52(91)39(67)16-12-13-21-66/h29,31-37,39-48,50-51,87-88H,12-28,30,66-67H2,1-11H3,(H,72,75)(H,76,91)(H,77,94)(H,78,95)(H,79,92)(H,80,97)(H,81,96)(H,82,100)(H,83,101)(H,84,93)(H,85,98)(H,86,99)(H,89,90)(H,102,103)(H4,68,69,73)(H4,70,71,74)/f/h75-86,89,102H,68-71H2

InChIKey: InChIKey=VRNDPZSHWBTGOA-UZQSEIHCCC
SMILES: CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)N

Names:
    4-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-carboxy-4-(diaminomethylideneamino)butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-(diaminomethylideneamino)butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-(3H-imidazol-4-yl)ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-hydroxy-ethyl]carbamoyl]-4-(2,6-diaminohexanoylamino)butanoic acid

Registries:
    PubChem CID 429592
    PubChem ID 4808245