(2S,3R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanoic acid

CAS: 57966-42-4

Formula: C30H48N8O8

SMILES: CC(C)C[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(O)=O

IUPAC: (2S,3R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanoic acid

InChI: InChI=1S/C30H48N8O8/c1-16(2)14-22(28(44)38-13-5-7-23(38)27(43)37-24(17(3)39)29(45)46)36-26(42)21(15-18-8-10-19(40)11-9-18)35-25(41)20(31)6-4-12-34-30(32)33/h8-11,16-17,20-24,39-40H,4-7,12-15,31H2,1-3H3,(H,35,41)(H,36,42)(H,37,43)(H,45,46)(H4,32,33,34)/t17

Composition: C (55.54%), H (7.46%), N (17.27%), O (19.73%)

Molar Mass: 648.762

Atom Count: 94

Heavy Atom Count: 46