MF: C40H68N14O16
MW: 1001.1g/mol
IUPAC Name: (2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
Isomeric SMILES: C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)N
InChIKey: JMBLPSUDFRAOLU-SMNCUOCCSA-N
InChI: InChI=1S/C40H68N14O16/c1-20(31(61)50-24(17-55)35(65)51-25(18-56)34(64)49-22(8-2-3-11-41)37(67)54-14-6-10-28(54)39(69)70)47-36(66)27-9-5-13-53(27)38(68)26(19-57)52-33(63)23(15-30(59)60)48-29(58)16-46-32(62)21(42)7-4-12-45-40(43)44/h20-28,55-57H,2-19,41-42H2,1H3,(H,46,62)(H,47,66)(H,48,58)(H,49,64)(H,50,61)(H,51,65)(H,52,63)(H,59,60)(H,69,70)(H4,43,44,45)/t20-,21-,22-,23-,24-,25-,26-,27-,28-/m0/s1
