214061-18-4

Structural Information

Molecular Formula

C₅₉H₈₃N₁₇O₁₄

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6

InChI

InChI=1S/C59H83N17O14/c1-32(2)23-42(52(84)70-41(12-7-21-64-59(61)62)58(90)76-22-8-13-47(76)57(89)66-29-49(80)81)71-50(82)39(11-5-6-20-60)69-53(85)43(24-33-14-16-36(78)17-15-33)72-56(88)46(30-77)75-54(86)44(25-34-27-65-38-10-4-3-9-37(34)38)73-55(87)45(26-35-28-63-31-67-35)74-51(83)40-18-19-48(79)68-40/h3-4,9-10,14-17,27-28,31-32,39-47,65,77-78H,5-8,11-13,18-26,29-30,60H2,1-2H3,(H,63,67)(H,66,89)(H,68,79)(H,69,85)(H,70,84)(H,71,82)(H,72,88)(H,73,87)(H,74,83)(H,75,86)(H,80,81)(H4,61,62,64)/t39-,40+,41+,42+,43+,44+,45+,46+,47+/m1/s1

InChIKey

JLPGUTVGFAQPNX-OBCLEYQXSA-N

Compound name

2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-6-amino-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-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid

Related CIDs

• CID 145707836