Nh2-lcycrrrrcvcv-nh2

Structural Information

Molecular Formula

C₆₁H₁₀₅N₂₅O₁₃S₄

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)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)NC(=O)[C@@H](NC1=O)CC3=CC=C(C=C3)O)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N)N

InChI

InChI=1S/C61H105N25O13S4/c1-29(2)23-34(62)47(89)81-40-25-100-103-28-43(55(97)85-44(30(3)4)46(63)88)84-57(99)45(31(5)6)86-56(98)42-27-102-101-26-41(83-52(94)39(80-54(40)96)24-32-15-17-33(87)18-16-32)53(95)79-37(13-9-21-74-60(68)69)50(92)77-35(11-7-19-72-58(64)65)48(90)76-36(12-8-20-73-59(66)67)49(91)78-38(51(93)82-42)14-10-22-75-61(70)71/h15-18,29-31,34-45,87H,7-14,19-28,62H2,1-6H3,(H2,63,88)(H,76,90)(H,77,92)(H,78,91)(H,79,95)(H,80,96)(H,81,89)(H,82,93)(H,83,94)(H,84,99)(H,85,97)(H,86,98)(H4,64,65,72)(H4,66,67,73)(H4,68,69,74)(H4,70,71,75)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1

InChIKey

QSRAZEPEGWNGMD-OBLJVINJSA-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]-21,24,27,30-tetrakis[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 25078088