Ns00134305

Structural Information

Molecular Formula

C₅₉H₇₅N₁₉O₁₃

SMILES

C1C[C@H](N(C1)C(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC3=CC=CC=C3N2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CC6=CC=CC=C6N5)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8)C(=O)NCC(=O)N

InChI

InChI=1S/C59H75N19O13/c60-16-6-5-12-40(59(91)78-17-7-13-47(78)58(90)65-27-49(62)81)71-52(84)41(20-33-18-31-8-1-3-10-37(31)68-33)74-56(88)45(24-48(61)80)76-54(86)44(23-36-26-64-30-67-36)75-57(89)46(28-79)77-55(87)42(21-34-19-32-9-2-4-11-38(32)69-34)73-53(85)43(22-35-25-63-29-66-35)72-51(83)39-14-15-50(82)70-39/h1-4,8-11,18-19,25-26,29-30,39-47,68-69,79H,5-7,12-17,20-24,27-28,60H2,(H2,61,80)(H2,62,81)(H,63,66)(H,64,67)(H,65,90)(H,70,82)(H,71,84)(H,72,83)(H,73,85)(H,74,88)(H,75,89)(H,76,86)(H,77,87)/t39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1

InChIKey

QMAOBPTXTXJMIM-CSYZDTNESA-N

Compound name

(2S)-N-[(2S)-1-[[(2S)-6-amino-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-3-(1H-indol-2-yl)-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1H-indol-2-yl)propanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]butanediamide

Related CIDs

• CID 56841717