138608-20-5

Structural Information

Molecular Formula

C₅₈H₉₅N₁₉O₁₆

SMILES

CCCC[C@@H](C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CN=CN2)N

InChI

InChI=1S/C58H95N19O16/c1-8-9-13-38(53(87)75-44(28-78)47(61)81)69-48(82)33(7)68-52(86)41(20-21-45(79)80)72-56(90)43(25-34-16-18-36(19-17-34)77(92)93)73-55(89)42(24-30(2)3)74-57(91)46(31(4)5)76-54(88)40(15-12-23-65-58(62)63)70-49(83)32(6)67-51(85)39(14-10-11-22-59)71-50(84)37(60)26-35-27-64-29-66-35/h16-19,27,29-33,37-44,46,78H,8-15,20-26,28,59-60H2,1-7H3,(H2,61,81)(H,64,66)(H,67,85)(H,68,86)(H,69,82)(H,70,83)(H,71,84)(H,72,90)(H,73,89)(H,74,91)(H,75,87)(H,76,88)(H,79,80)(H4,62,63,65)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-,46-/m0/s1

InChIKey

XRWLUJTVRDIGPF-HJUXFZRESA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 6475380