Nh2-lcycrrffcvcv-nh2

Structural Information

Molecular Formula

C₆₇H₉₉N₁₉O₁₃S₄

SMILES

CC(C)C[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC3=CC=CC=C3)CC4=CC=CC=C4)CCCN=C(N)N)CCCN=C(N)N)NC(=O)[C@@H](NC1=O)CC5=CC=C(C=C5)O)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N)N

InChI

InChI=1S/C67H99N19O13S4/c1-35(2)27-42(68)55(89)81-48-31-100-103-34-51(63(97)85-52(36(3)4)54(69)88)84-65(99)53(37(5)6)86-64(98)50-33-102-101-32-49(82-60(94)47(80-62(48)96)30-40-21-23-41(87)24-22-40)61(95)77-43(19-13-25-74-66(70)71)56(90)76-44(20-14-26-75-67(72)73)57(91)78-45(28-38-15-9-7-10-16-38)58(92)79-46(59(93)83-50)29-39-17-11-8-12-18-39/h7-12,15-18,21-24,35-37,42-53,87H,13-14,19-20,25-34,68H2,1-6H3,(H2,69,88)(H,76,90)(H,77,95)(H,78,91)(H,79,92)(H,80,96)(H,81,89)(H,82,94)(H,83,93)(H,84,99)(H,85,97)(H,86,98)(H4,70,71,74)(H4,72,73,75)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1

InChIKey

AAKYVIGQEVVDBP-PEWBXTNBSA-N

Compound name

(1R,4S,7R,12R,15S,18R,21S,24S,27S,30S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-7-[[(2S)-2-amino-4-methylpentanoyl]amino]-21,24-dibenzyl-27,30-bis[3-(diaminomethylideneamino)propyl]-4-[(4-hydroxyphenyl)methyl]-3,6,14,17,20,23,26,29,32-nonaoxo-15-propan-2-yl-9,10,34,35-tetrathia-2,5,13,16,19,22,25,28,31-nonazabicyclo[16.14.4]hexatriacontane-12-carboxamide

Related CIDs

• CID 25078092